Geometry & MOs

Info

ID:	155252
PubChem CID:	56323955
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	358.117356
ΔH_f, kcal/mol:	-126.67
Dipole, Da:	2.66
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-b][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC(C#N)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations